3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide

C24H18ClFN4O4 — CID 3790810

IUPAC3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILESO=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H18ClFN4O4/c25-16-6-12-19(13-7-16)29-21(31)14-20(23(33)27-18-10-8-17(26)9-11-18)30(24(29)34)28-22(32)15-4-2-1-3-5-15/h1-13,20H,14H2,(H,27,33)(H,28,32)
InChIKeyGXTCVQAHSDRACJ-UHFFFAOYSA-N
MW480.88 g/mol
LogP3.99
Rot. Bonds5

About 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide

3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide (PubChem CID 3790810) has the molecular formula C24H18ClFN4O4 and a molecular weight of 480.88 g/mol. Its IUPAC name is 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
PubChem CID3790810
Molecular FormulaC24H18ClFN4O4
Molecular Weight480.88 g/mol
Exact Mass480.10
IUPAC Name3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
SMILESO=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H18ClFN4O4/c25-16-6-12-19(13-7-16)29-21(31)14-20(23(33)27-18-10-8-17(26)9-11-18)30(24(29)34)28-22(32)15-4-2-1-3-5-15/h1-13,20H,14H2,(H,27,33)(H,28,32)
InChIKeyGXTCVQAHSDRACJ-UHFFFAOYSA-N
XLogP3.99
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[3-benzamido-1-(4-chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carbonyl]amino]benzoate
CID 17324572
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CID 17324576
ethyl N-[(6R)-3-(3-chlorophenyl)-6-[(4-methoxyphenyl)carbamoyl]-2,4-dioxo-1,3-diazinan-1-yl]carbamate
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N-(4-chlorophenyl)benzamide;hydrochloride
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CID 785744
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CID 7581383
N-[(Z)-1-(3-chlorophenyl)-3-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 21171485

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
The IUPAC name of 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide (CID 3790810) is 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide is O=C(NN1C(=O)N(c2ccc(Cl)cc2)C(=O)CC1C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
The InChIKey is GXTCVQAHSDRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O4/c25-16-6-12-19(13-7-16)29-21(31)14-20(23(33)27-18-10-8-17(26)9-11-18)30(24(29)34)28-22(32)15-4-2-1-3-5-15/h1-13,20H,14H2,(H,27,33)(H,28,32).
What are the key properties of 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide?
3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide has a molecular weight of 480.88 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-1-(4-chlorophenyl)-N-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 3790810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).